ethyl 4-[3-[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 4-[3-[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[3-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]sulfanyl]propanoylamino]benzoate CAS Name: 4-[[3-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[3-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]thio]propanoylamino]benzoic acid ethyl ester Formula: C33H31N3O6S MolecularWeight: 597.68074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC)C#N

InChI

InChI=1S/C33H31N3O6S/c1-5-42-33(38)22-11-13-24(14-12-22)35-30(37)15-16-43-32-26(20-34)25(19-27(36-32)21-9-7-6-8-10-21)23-17-28(39-2)31(41-4)29(18-23)40-3/h6-14,17-19H,5,15-16H2,1-4H3,(H,35,37)